CID 28897015

78397-15-6

Structural Information

Molecular Formula
C10H13NO2
SMILES
C[C@H](C1=CC=CC=C1)NCC(=O)O
InChI
InChI=1S/C10H13NO2/c1-8(11-7-10(12)13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKey
RFEBVEWGRABHPU-MRVPVSSYSA-N
Compound name
2-[[(1R)-1-phenylethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

179.09464 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 139.5
[M+Na]+ 202.08386 149.9
[M+NH4]+ 197.12846 147.1
[M+K]+ 218.05780 144.8
[M-H]- 178.08736 140.9
[M+Na-2H]- 200.06931 145.3
[M]+ 179.09409 141.1
[M]- 179.09519 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe